UCSF

ZINC34681943

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.71 14.35 -46.81 2 6 1 53 498.573 7
Lo Low (pH 4.5-6) 4.71 14.72 -101.73 3 6 2 54 499.581 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )